CAS RN: 118074-07-0
Clarithromycin Impurity Q (10 mg) (N-oxide clarithromycin)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250314 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS118074-07-0
- Purity/Analytical Methods: >99.0%
118074-07-0 / (2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-3-hydroxy-N,N,6-trimethyloxan-4-amine oxide
Clarithromycin N-oxide | DTXSID30891488 | RefChem:334252
Basic Information
CAS
118074-07-0
Multi CAS
Yes
Molecular Formula
C38H69NO14
Molecular Weight
764.000000
Exact Mass
763.471806
SMILES
CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)[N+](C)(C)[O-])O)(C)OC)C)C)O)(C)O
InChI
InChI=1S/C38H69NO14/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,48-14)33(53-35-29(41)25(39(11,12)46)16-20(3)49-35)22(5)30(23(6)34(44)51-26)52-27-18-36(8,47-13)32(43)24(7)50-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
InChIKey
KDRPFIWYMNONLJ-KCBOHYOISA-N
Synonyms
Clarithromycin N-oxide
DTXSID30891488
RefChem:334252
DTXCID901030590
Clarithromycin Impurity Q
Computed Properties
Structural Parameters
Heavy atom count
53
Fraction Csp3
0.95
Rotatable bonds
8
H-bond acceptors
14
H-bond donors
4
Molar refractivity
192.84
TPSA
202.73
LogP / Solubility
WLOGP
2.45
MLOGP
2.23
XLogP3
3.2
Consensus LogP
2.63
Log S (ESOL)
-5.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.62
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.64
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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